N-cyclopentyl-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)butanamide

• ChemBase ID: 631473
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: n1(c(=O)c2c(cc1)nccc2)C(C(=O)NC1CCCC1)CC
• Canonical SMILES: CCC(n1ccc2c(c1=O)cccn2)C(=O)NC1CCCC1
• InChI: InChI=1S/C17H21N3O2/c1-2-15(16(21)19-12-6-3-4-7-12)20-11-9-14-13(17(20)22)8-5-10-18-14/h5,8-12,15H,2-4,6-7H2,1H3,(H,19,21)
• InChIKey: LYHNQZSDEGZXGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)butanamide
• IUPAC Traditional name: N-cyclopentyl-2-(5-oxo-1,6-naphthyridin-6-yl)butanamide
• Synonyms: N-cyclopentyl-2-(5-oxo-1,6-naphthyridin-6(5H)-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.943543
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9016547
• LogD (pH = 7.4): 1.9045625
• Log P: 1.9045998
• Molar Refractivity: 83.9631 cm^3
• Polarizability: 32.11019 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.78
• LOG S: -2.9
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4